2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile

C11H17N3O2 — CID 27280952

IUPAC2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C11H17N3O2/c12-3-4-13-5-7-14(8-6-13)11(15)10-2-1-9-16-10/h10H,1-2,4-9H2/t10-/m1/s1
InChIKeyDTZQPHOUBJQTBD-SNVBAGLBSA-N
MW223.28 g/mol
LogP-0.17
Rot. Bonds2

About 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile

2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile (PubChem CID 27280952) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
PubChem CID27280952
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C11H17N3O2/c12-3-4-13-5-7-14(8-6-13)11(15)10-2-1-9-16-10/h10H,1-2,4-9H2/t10-/m1/s1
InChIKeyDTZQPHOUBJQTBD-SNVBAGLBSA-N
XLogP-0.17
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 55354069
N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 18229706
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile (CID 27280952) is 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile is N#CCN1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile?
The InChIKey is DTZQPHOUBJQTBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-3-4-13-5-7-14(8-6-13)11(15)10-2-1-9-16-10/h10H,1-2,4-9H2/t10-/m1/s1.
What are the key properties of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile?
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile has a molecular weight of 223.28 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile is sourced from PubChem (CID 27280952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).